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Title: Charge-transfer processes in F{sup 2+}+H{yields}F{sup +}+H{sup +} collisions and the reverse process at low-keV energies

Abstract

Theoretical investigations on single charge-transfer processes in collisions of F{sup 2+}+H{yields}F{sup +}+H{sup +} and its reverse process have been carried out at collision energies from 20 eV/u to 10 keV/u. The molecular orbital expansion method within the semiclassical impact parameter formalism has been employed for the scattering dynamics, while the ab initio multireference single- and double-excitation configuration interaction (MRD-CI) method was adopted for determination of molecular electronic states. The initial channels correspond to the quintet and triplet states for the corresponding collision processes, respectively. Four molecular states in the quintet manifold and eight molecular states in the triplet manifold were coupled. In the quintet manifold, the charge-transfer cross sections for F{sup 2+}+H{yields}F{sup +}+H{sup +} range from 1.3x10{sup -22} cm{sup 2} at 20 eV/u to 2.5x10{sup -15}cm{sup 2} at 10 keV/u. The cross sections of the reverse process, F{sup +}+H{sup +}{yields}F{sup 2+}+H, range from 3.0x10{sup -22} cm{sup 2}to 2.3x10{sup -15} cm{sup 2} in the same energy range. In the triplet states, the charge-transfer cross sections for F{sup 2+}+H{yields}F{sup +}+H{sup +} range from 1.1x10{sup -18} cm{sup 2} to 2.5x10{sup -16} cm{sup 2}, and its reverse process gives charge-transfer cross sections ranging from 1.7x10{sup -24} cm{sup 2} to 1.5x10{sup -17} cm{sup 2}.

Authors:
;  [1]; ; ;  [2];  [3]
  1. Department of Physics and Astronomy, Rice University, M.S. 61, Houston, Texas 77251-1892 (United States)
  2. Fachbereich C-Mathematik and Naturwissenshaften, Bergische Universitaet Wuppertal, D-42097 Wuppertal (Germany)
  3. Graduate School of Sciences, Kyushu University, Hakozaki Fukuoka 812-8581 (Japan)
Publication Date:
OSTI Identifier:
20786518
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. A; Journal Volume: 72; Journal Issue: 5; Other Information: DOI: 10.1103/PhysRevA.72.052715; (c) 2005 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ATOMS; CHARGE EXCHANGE; CONFIGURATION INTERACTION; CROSS SECTIONS; EV RANGE; EXCITATION; FLUORINE; FLUORINE IONS; HYDROGEN; HYDROGEN IONS 1 PLUS; IMPACT PARAMETER; ION-ATOM COLLISIONS; KEV RANGE; MOLECULAR ORBITAL METHOD; SCATTERING; SEMICLASSICAL APPROXIMATION; TRIPLETS

Citation Formats

Dutta, C. M., Nordlander, P., Gu, J. P., Hirsch, G., Buenker, R. J., and Kimura, M. Charge-transfer processes in F{sup 2+}+H{yields}F{sup +}+H{sup +} collisions and the reverse process at low-keV energies. United States: N. p., 2005. Web. doi:10.1103/PHYSREVA.72.0.
Dutta, C. M., Nordlander, P., Gu, J. P., Hirsch, G., Buenker, R. J., & Kimura, M. Charge-transfer processes in F{sup 2+}+H{yields}F{sup +}+H{sup +} collisions and the reverse process at low-keV energies. United States. doi:10.1103/PHYSREVA.72.0.
Dutta, C. M., Nordlander, P., Gu, J. P., Hirsch, G., Buenker, R. J., and Kimura, M. Tue . "Charge-transfer processes in F{sup 2+}+H{yields}F{sup +}+H{sup +} collisions and the reverse process at low-keV energies". United States. doi:10.1103/PHYSREVA.72.0.
@article{osti_20786518,
title = {Charge-transfer processes in F{sup 2+}+H{yields}F{sup +}+H{sup +} collisions and the reverse process at low-keV energies},
author = {Dutta, C. M. and Nordlander, P. and Gu, J. P. and Hirsch, G. and Buenker, R. J. and Kimura, M.},
abstractNote = {Theoretical investigations on single charge-transfer processes in collisions of F{sup 2+}+H{yields}F{sup +}+H{sup +} and its reverse process have been carried out at collision energies from 20 eV/u to 10 keV/u. The molecular orbital expansion method within the semiclassical impact parameter formalism has been employed for the scattering dynamics, while the ab initio multireference single- and double-excitation configuration interaction (MRD-CI) method was adopted for determination of molecular electronic states. The initial channels correspond to the quintet and triplet states for the corresponding collision processes, respectively. Four molecular states in the quintet manifold and eight molecular states in the triplet manifold were coupled. In the quintet manifold, the charge-transfer cross sections for F{sup 2+}+H{yields}F{sup +}+H{sup +} range from 1.3x10{sup -22} cm{sup 2} at 20 eV/u to 2.5x10{sup -15}cm{sup 2} at 10 keV/u. The cross sections of the reverse process, F{sup +}+H{sup +}{yields}F{sup 2+}+H, range from 3.0x10{sup -22} cm{sup 2}to 2.3x10{sup -15} cm{sup 2} in the same energy range. In the triplet states, the charge-transfer cross sections for F{sup 2+}+H{yields}F{sup +}+H{sup +} range from 1.1x10{sup -18} cm{sup 2} to 2.5x10{sup -16} cm{sup 2}, and its reverse process gives charge-transfer cross sections ranging from 1.7x10{sup -24} cm{sup 2} to 1.5x10{sup -17} cm{sup 2}.},
doi = {10.1103/PHYSREVA.72.0},
journal = {Physical Review. A},
number = 5,
volume = 72,
place = {United States},
year = {Tue Nov 15 00:00:00 EST 2005},
month = {Tue Nov 15 00:00:00 EST 2005}
}